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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2023	/method_selection/UVVis azapent_w_uv_dichloromethane	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD; TD-FC	6-311+G(D,P)	-592.3775367; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_2_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0787769; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_4_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1386158; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_2_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1030119; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3700.9956025; Eh
	30-Jan-2023	oxydipicene_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1767.6357852; Eh
	30-Jan-2023	t7h_pmm_ppm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.6953098; Eh
	30-Jan-2023	t7h_mmm_pmm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7100187; Eh
	15-Jun-2023	t7h_pmm_ppm_spe_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7305642; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_5_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1366379; Eh

Results 71-80 of 115 (Search time: 0.001 seconds).